! Pwscf input file created with ciftopw.py ! Compound: Hf2CoP &control calculation = 'bands' prefix = 'Hf2CoP' restart_mode = 'from_scratch' outdir = './' wf_collect = .true. verbosity = 'high' / &system ibrav = 14 celldm(1) = 6.9515460231353998 celldm(2) = 1.4202413961833307 celldm(3) = 1.9211384765943564 celldm(4) = 0.3379167180033271 celldm(5) = 0.0000000000000001 celldm(6) = 0.0000000000000001 nat = 8 ntyp = 3 ecutwfc = 80.00000000 ecutrho = 320.00000000 occupations = 'smearing' smearing = 'f-d' degauss = 1.00000000e-03 noncolin = .true. lspinorb = .true. / &electrons conv_thr = 1.00000000e-05 mixing_beta = 3.00000000e-01 / ATOMIC_SPECIES Hf 178.4900 Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF Co 58.9332 Co.rel-pbe-oncvpsp.UPF P 30.9738 P.rel-pbe-n-rrkjus_psl.1.0.0.UPF ATOMIC_POSITIONS crystal K_POINTS crystal 292 0.00000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.02083333 1.0 0.00000000 0.00000000 0.04166667 1.0 0.00000000 0.00000000 0.06250000 1.0 0.00000000 0.00000000 0.08333333 1.0 0.00000000 0.00000000 0.10416667 1.0 0.00000000 0.00000000 0.12500000 1.0 0.00000000 0.00000000 0.14583333 1.0 0.00000000 0.00000000 0.16666667 1.0 0.00000000 0.00000000 0.18750000 1.0 0.00000000 0.00000000 0.20833333 1.0 0.00000000 0.00000000 0.22916667 1.0 0.00000000 0.00000000 0.25000000 1.0 0.00000000 0.00000000 0.27083333 1.0 0.00000000 0.00000000 0.29166667 1.0 0.00000000 0.00000000 0.31250000 1.0 0.00000000 0.00000000 0.33333333 1.0 0.00000000 0.00000000 0.35416667 1.0 0.00000000 0.00000000 0.37500000 1.0 0.00000000 0.00000000 0.39583333 1.0 0.00000000 0.00000000 0.41666667 1.0 0.00000000 0.00000000 0.43750000 1.0 0.00000000 0.00000000 0.45833333 1.0 0.00000000 0.00000000 0.47916667 1.0 0.00000000 0.00000000 0.50000000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.00000000 0.01628640 0.50744443 1.0 0.00000000 0.03257280 0.51488885 1.0 0.00000000 0.04885920 0.52233328 1.0 0.00000000 0.06514560 0.52977771 1.0 0.00000000 0.08143200 0.53722214 1.0 0.00000000 0.09771840 0.54466656 1.0 0.00000000 0.11400480 0.55211099 1.0 0.00000000 0.13029120 0.55955542 1.0 0.00000000 0.14657760 0.56699985 1.0 0.00000000 0.16286400 0.57444427 1.0 0.00000000 0.17915040 0.58188870 1.0 0.00000000 0.19543680 0.58933313 1.0 0.00000000 0.21172320 0.59677755 1.0 0.00000000 0.22800961 0.60422198 1.0 0.00000000 0.24429601 0.61166641 1.0 0.00000000 0.26058241 0.61911084 1.0 0.00000000 0.27686881 0.62655526 1.0 0.00000000 0.29315521 0.63399969 1.0 0.00000000 0.30944161 0.64144412 1.0 0.00000000 0.32572801 0.64888854 1.0 0.00000000 0.34201441 0.65633297 1.0 0.00000000 0.35830081 0.66377740 1.0 0.00000000 0.37458721 0.67122183 1.0 0.00000000 0.39087361 0.67866625 1.0 0.00000000 0.40716001 0.68611068 1.0 0.00000000 0.42344641 0.69355511 1.0 0.00000000 0.42344641 0.69355511 1.0 0.00000000 0.42982588 0.67742552 1.0 0.00000000 0.43620534 0.66129592 1.0 0.00000000 0.44258481 0.64516633 1.0 0.00000000 0.44896427 0.62903674 1.0 0.00000000 0.45534374 0.61290715 1.0 0.00000000 0.46172320 0.59677755 1.0 0.00000000 0.46810267 0.58064796 1.0 0.00000000 0.47448214 0.56451837 1.0 0.00000000 0.48086160 0.54838878 1.0 0.00000000 0.48724107 0.53225918 1.0 0.00000000 0.49362053 0.51612959 1.0 0.00000000 0.50000000 0.50000000 1.0 0.00000000 0.50000000 0.50000000 1.0 0.01162791 0.50000000 0.50000000 1.0 0.02325581 0.50000000 0.50000000 1.0 0.03488372 0.50000000 0.50000000 1.0 0.04651163 0.50000000 0.50000000 1.0 0.05813953 0.50000000 0.50000000 1.0 0.06976744 0.50000000 0.50000000 1.0 0.08139535 0.50000000 0.50000000 1.0 0.09302326 0.50000000 0.50000000 1.0 0.10465116 0.50000000 0.50000000 1.0 0.11627907 0.50000000 0.50000000 1.0 0.12790698 0.50000000 0.50000000 1.0 0.13953488 0.50000000 0.50000000 1.0 0.15116279 0.50000000 0.50000000 1.0 0.16279070 0.50000000 0.50000000 1.0 0.17441860 0.50000000 0.50000000 1.0 0.18604651 0.50000000 0.50000000 1.0 0.19767442 0.50000000 0.50000000 1.0 0.20930233 0.50000000 0.50000000 1.0 0.22093023 0.50000000 0.50000000 1.0 0.23255814 0.50000000 0.50000000 1.0 0.24418605 0.50000000 0.50000000 1.0 0.25581395 0.50000000 0.50000000 1.0 0.26744186 0.50000000 0.50000000 1.0 0.27906977 0.50000000 0.50000000 1.0 0.29069767 0.50000000 0.50000000 1.0 0.30232558 0.50000000 0.50000000 1.0 0.31395349 0.50000000 0.50000000 1.0 0.32558140 0.50000000 0.50000000 1.0 0.33720930 0.50000000 0.50000000 1.0 0.34883721 0.50000000 0.50000000 1.0 0.36046512 0.50000000 0.50000000 1.0 0.37209302 0.50000000 0.50000000 1.0 0.38372093 0.50000000 0.50000000 1.0 0.39534884 0.50000000 0.50000000 1.0 0.40697674 0.50000000 0.50000000 1.0 0.41860465 0.50000000 0.50000000 1.0 0.43023256 0.50000000 0.50000000 1.0 0.44186047 0.50000000 0.50000000 1.0 0.45348837 0.50000000 0.50000000 1.0 0.46511628 0.50000000 0.50000000 1.0 0.47674419 0.50000000 0.50000000 1.0 0.48837209 0.50000000 0.50000000 1.0 0.50000000 0.50000000 0.50000000 1.0 0.50000000 0.50000000 0.50000000 1.0 0.50000000 0.50637947 0.48387041 1.0 0.50000000 0.51275893 0.46774082 1.0 0.50000000 0.51913840 0.45161122 1.0 0.50000000 0.52551786 0.43548163 1.0 0.50000000 0.53189733 0.41935204 1.0 0.50000000 0.53827680 0.40322245 1.0 0.50000000 0.54465626 0.38709285 1.0 0.50000000 0.55103573 0.37096326 1.0 0.50000000 0.55741519 0.35483367 1.0 0.50000000 0.56379466 0.33870408 1.0 0.50000000 0.57017412 0.32257448 1.0 0.50000000 0.57655359 0.30644489 1.0 0.50000000 0.57655359 0.30644489 1.0 0.50000000 0.57108548 0.28455597 1.0 0.50000000 0.56561736 0.26266705 1.0 0.50000000 0.56014925 0.24077813 1.0 0.50000000 0.55468114 0.21888921 1.0 0.50000000 0.54921302 0.19700029 1.0 0.50000000 0.54374491 0.17511137 1.0 0.50000000 0.53827680 0.15322245 1.0 0.50000000 0.53280868 0.13133353 1.0 0.50000000 0.52734057 0.10944460 1.0 0.50000000 0.52187245 0.08755568 1.0 0.50000000 0.51640434 0.06566676 1.0 0.50000000 0.51093623 0.04377784 1.0 0.50000000 0.50546811 0.02188892 1.0 0.50000000 0.50000000 0.00000000 1.0 0.50000000 0.50000000 0.00000000 1.0 0.48837209 0.50000000 0.00000000 1.0 0.47674419 0.50000000 0.00000000 1.0 0.46511628 0.50000000 0.00000000 1.0 0.45348837 0.50000000 0.00000000 1.0 0.44186047 0.50000000 0.00000000 1.0 0.43023256 0.50000000 0.00000000 1.0 0.41860465 0.50000000 0.00000000 1.0 0.40697674 0.50000000 0.00000000 1.0 0.39534884 0.50000000 0.00000000 1.0 0.38372093 0.50000000 0.00000000 1.0 0.37209302 0.50000000 0.00000000 1.0 0.36046512 0.50000000 0.00000000 1.0 0.34883721 0.50000000 0.00000000 1.0 0.33720930 0.50000000 0.00000000 1.0 0.32558140 0.50000000 0.00000000 1.0 0.31395349 0.50000000 0.00000000 1.0 0.30232558 0.50000000 0.00000000 1.0 0.29069767 0.50000000 0.00000000 1.0 0.27906977 0.50000000 0.00000000 1.0 0.26744186 0.50000000 0.00000000 1.0 0.25581395 0.50000000 0.00000000 1.0 0.24418605 0.50000000 0.00000000 1.0 0.23255814 0.50000000 0.00000000 1.0 0.22093023 0.50000000 0.00000000 1.0 0.20930233 0.50000000 0.00000000 1.0 0.19767442 0.50000000 0.00000000 1.0 0.18604651 0.50000000 0.00000000 1.0 0.17441860 0.50000000 0.00000000 1.0 0.16279070 0.50000000 0.00000000 1.0 0.15116279 0.50000000 0.00000000 1.0 0.13953488 0.50000000 0.00000000 1.0 0.12790698 0.50000000 0.00000000 1.0 0.11627907 0.50000000 0.00000000 1.0 0.10465116 0.50000000 0.00000000 1.0 0.09302326 0.50000000 0.00000000 1.0 0.08139535 0.50000000 0.00000000 1.0 0.06976744 0.50000000 0.00000000 1.0 0.05813953 0.50000000 0.00000000 1.0 0.04651163 0.50000000 0.00000000 1.0 0.03488372 0.50000000 0.00000000 1.0 0.02325581 0.50000000 0.00000000 1.0 0.01162791 0.50000000 0.00000000 1.0 0.00000000 0.50000000 0.00000000 1.0 0.00000000 0.50000000 0.00000000 1.0 0.00000000 0.50546811 0.02188892 1.0 0.00000000 0.51093623 0.04377784 1.0 0.00000000 0.51640434 0.06566676 1.0 0.00000000 0.52187245 0.08755568 1.0 0.00000000 0.52734057 0.10944460 1.0 0.00000000 0.53280868 0.13133353 1.0 0.00000000 0.53827680 0.15322245 1.0 0.00000000 0.54374491 0.17511137 1.0 0.00000000 0.54921302 0.19700029 1.0 0.00000000 0.55468114 0.21888921 1.0 0.00000000 0.56014925 0.24077813 1.0 0.00000000 0.56561736 0.26266705 1.0 0.00000000 0.57108548 0.28455597 1.0 0.00000000 0.57655359 0.30644489 1.0 0.50000000 0.42344641 0.69355511 1.0 0.50000000 0.40716001 0.68611068 1.0 0.50000000 0.39087361 0.67866625 1.0 0.50000000 0.37458721 0.67122183 1.0 0.50000000 0.35830081 0.66377740 1.0 0.50000000 0.34201441 0.65633297 1.0 0.50000000 0.32572801 0.64888854 1.0 0.50000000 0.30944161 0.64144412 1.0 0.50000000 0.29315521 0.63399969 1.0 0.50000000 0.27686881 0.62655526 1.0 0.50000000 0.26058241 0.61911084 1.0 0.50000000 0.24429601 0.61166641 1.0 0.50000000 0.22800961 0.60422198 1.0 0.50000000 0.21172320 0.59677755 1.0 0.50000000 0.19543680 0.58933313 1.0 0.50000000 0.17915040 0.58188870 1.0 0.50000000 0.16286400 0.57444427 1.0 0.50000000 0.14657760 0.56699985 1.0 0.50000000 0.13029120 0.55955542 1.0 0.50000000 0.11400480 0.55211099 1.0 0.50000000 0.09771840 0.54466656 1.0 0.50000000 0.08143200 0.53722214 1.0 0.50000000 0.06514560 0.52977771 1.0 0.50000000 0.04885920 0.52233328 1.0 0.50000000 0.03257280 0.51488885 1.0 0.50000000 0.01628640 0.50744443 1.0 0.50000000 0.00000000 0.50000000 1.0 0.50000000 0.00000000 0.50000000 1.0 0.50000000 0.00000000 0.47916667 1.0 0.50000000 0.00000000 0.45833333 1.0 0.50000000 0.00000000 0.43750000 1.0 0.50000000 0.00000000 0.41666667 1.0 0.50000000 0.00000000 0.39583333 1.0 0.50000000 0.00000000 0.37500000 1.0 0.50000000 0.00000000 0.35416667 1.0 0.50000000 0.00000000 0.33333333 1.0 0.50000000 0.00000000 0.31250000 1.0 0.50000000 0.00000000 0.29166667 1.0 0.50000000 0.00000000 0.27083333 1.0 0.50000000 0.00000000 0.25000000 1.0 0.50000000 0.00000000 0.22916667 1.0 0.50000000 0.00000000 0.20833333 1.0 0.50000000 0.00000000 0.18750000 1.0 0.50000000 0.00000000 0.16666667 1.0 0.50000000 0.00000000 0.14583333 1.0 0.50000000 0.00000000 0.12500000 1.0 0.50000000 0.00000000 0.10416667 1.0 0.50000000 0.00000000 0.08333333 1.0 0.50000000 0.00000000 0.06250000 1.0 0.50000000 0.00000000 0.04166667 1.0 0.50000000 0.00000000 0.02083333 1.0 0.50000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.01162791 0.00000000 0.50000000 1.0 0.02325581 0.00000000 0.50000000 1.0 0.03488372 0.00000000 0.50000000 1.0 0.04651163 0.00000000 0.50000000 1.0 0.05813953 0.00000000 0.50000000 1.0 0.06976744 0.00000000 0.50000000 1.0 0.08139535 0.00000000 0.50000000 1.0 0.09302326 0.00000000 0.50000000 1.0 0.10465116 0.00000000 0.50000000 1.0 0.11627907 0.00000000 0.50000000 1.0 0.12790698 0.00000000 0.50000000 1.0 0.13953488 0.00000000 0.50000000 1.0 0.15116279 0.00000000 0.50000000 1.0 0.16279070 0.00000000 0.50000000 1.0 0.17441860 0.00000000 0.50000000 1.0 0.18604651 0.00000000 0.50000000 1.0 0.19767442 0.00000000 0.50000000 1.0 0.20930233 0.00000000 0.50000000 1.0 0.22093023 0.00000000 0.50000000 1.0 0.23255814 0.00000000 0.50000000 1.0 0.24418605 0.00000000 0.50000000 1.0 0.25581395 0.00000000 0.50000000 1.0 0.26744186 0.00000000 0.50000000 1.0 0.27906977 0.00000000 0.50000000 1.0 0.29069767 0.00000000 0.50000000 1.0 0.30232558 0.00000000 0.50000000 1.0 0.31395349 0.00000000 0.50000000 1.0 0.32558140 0.00000000 0.50000000 1.0 0.33720930 0.00000000 0.50000000 1.0 0.34883721 0.00000000 0.50000000 1.0 0.36046512 0.00000000 0.50000000 1.0 0.37209302 0.00000000 0.50000000 1.0 0.38372093 0.00000000 0.50000000 1.0 0.39534884 0.00000000 0.50000000 1.0 0.40697674 0.00000000 0.50000000 1.0 0.41860465 0.00000000 0.50000000 1.0 0.43023256 0.00000000 0.50000000 1.0 0.44186047 0.00000000 0.50000000 1.0 0.45348837 0.00000000 0.50000000 1.0 0.46511628 0.00000000 0.50000000 1.0 0.47674419 0.00000000 0.50000000 1.0 0.48837209 0.00000000 0.50000000 1.0 0.50000000 0.00000000 0.50000000 1.0